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88356-06-3 | 2-Butanone, 3,3-dimethyl-4-[4-(trifluoromethoxy)phenyl]-
CAS No: 88356-06-3 Catalog No: AG0045OS MDL No:
Product Description
Catalog Number:
AG0045OS
Chemical Name:
2-Butanone, 3,3-dimethyl-4-[4-(trifluoromethoxy)phenyl]-
CAS Number:
88356-06-3
Molecular Formula:
C13H15F3O2
Molecular Weight:
260.2522
IUPAC Name:
3,3-dimethyl-4-[4-(trifluoromethoxy)phenyl]butan-2-one
InChI:
InChI=1S/C13H15F3O2/c1-9(17)12(2,3)8-10-4-6-11(7-5-10)18-13(14,15)16/h4-7H,8H2,1-3H3
InChI Key:
WRDNWKHWAYSXLW-UHFFFAOYSA-N
SMILES:
CC(=O)C(Cc1ccc(cc1)OC(F)(F)F)(C)C
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.102g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.256g/mol
Monoisotopic Mass:
260.102g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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